AG00956E

1060814-50-7 | 5-(Trifluoromethyl)pyrazine-2-carboxylic acid

AG00956E

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CAS Number	1060814-50-7
Catalog Number	AG00956E(AGN-PC-0ALQ57)
Chemical Name	5-(Trifluoromethyl)pyrazine-2-carboxylic acid
IUPAC Name	5-(trifluoromethyl)pyrazine-2-carboxylic acid
InChI	InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-10-3(1-11-4)5(12)13/h1-2H,(H,12,13)
InChI Key	DDVCRZPGVDGULO-UHFFFAOYSA-N
MDL Number	MFCD10698566
Molecular Formula	C6H3F3N2O2
Molecular Weight	192.0954
SMILES	C1=C(N=CC(=N1)C(F)(F)F)C(=O)O
Synonyms	5-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID, 1060814-50-7, 5-trifluoromethyl-pyrazine-2-carboxylic acid, SCHEMBL1173916, DDVCRZPGVDGULO-UHFFFAOYSA-N, MFCD10698566, ZINC79387497, AKOS006303191, AB62411, CS-13097, DA-15882, SC-94069, 2-Trifluoromethyl-5-pyrazinecarboxylic acid, 5-trifluoromethylpyrazine-2-carboxylic acid, 5-trifluoromethylpyrazin-2-ylcarboxylic acid, FT-0723943, 5-(trifluoromethyl)-2-Pyrazinecarboxylic acid,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.097g/mol
Monoisotopic Mass	192.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

Certificate of Analysis

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